HRID950206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID57911006

未命名化合物

HCID178480034

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2ncccc2cc1Sc1nnc2ccc(-c3cnn(C)c3)nn12

HCID24900730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c683a0dcd39241beb97b361fc4ae0f19
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][c:2]1[c:3]([O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[cH:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[cH:11]1.[CH3:29][n:30]1[n:31][cH:32][c:33](-[c:35]2[cH:36][cH:37][c:38]3[n:39]([n:40]2)[c:41]([SH:44])[n:42][n:43]3)[cH:34]1.[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[Na+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[OH-:45].[Pd:52].[Pd:53]>>[CH3:1][c:2]1[c:3]([S:44][c:41]2[n:39]3[c:38]([cH:37][cH:36][c:35](-[c:33]4[cH:32][n:31][n:30]([CH3:29])[cH:34]4)[n:40]3)[n:43][n:42]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[cH:11]1